G786-2325 Screening compound: methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate

G786-2325 Screening compound: methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate
G786-2325 Screening compound: methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-2325
methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G786-2325

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzoate

IUPAC name

methyl 4-{[3-(13-benzothiazol-2-yl)-6-(propan-2-yl)-4H5H6H7H-thieno[23-c]pyridin-2-yl]carbamoyl}benzoate

SMILES

CC(C)N(CC1)Cc2c1c(-c1nc(cccc3)c3s1)c(NC(c(cc1)ccc1C(OC)=O)=O)s2

InChI

InChI=1S/C26H25N3O3S2/c1-15(2)29-13-12-18-21(14-29)34-25(22(18)24-27-19-6-4-5-7-20(19)33-24)28-23(30)16-8-10-17(11-9-16)26(31)32-3/h4-11,15H,12-14H2,1-3H3,(H,28,30)

InChI Key

NDSUTPIOOPBLTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.66

Polar Surface Area

57.465

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G786-2325 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G786-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-2325?
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What is the minimum amount of G786-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-2325
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G786-2325 available by request